/*
 * @BEGIN LICENSE
 *
 * Psi4: an open-source quantum chemistry software package
 *
 * Copyright (c) 2007-2024 The Psi4 Developers.
 *
 * The copyrights for code used from other parties are included in
 * the corresponding files.
 *
 * This file is part of Psi4.
 *
 * Psi4 is free software; you can redistribute it and/or modify
 * it under the terms of the GNU Lesser General Public License as published by
 * the Free Software Foundation, version 3.
 *
 * Psi4 is distributed in the hope that it will be useful,
 * but WITHOUT ANY WARRANTY; without even the implied warranty of
 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
 * GNU Lesser General Public License for more details.
 *
 * You should have received a copy of the GNU Lesser General Public License along
 * with Psi4; if not, write to the Free Software Foundation, Inc.,
 * 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
 *
 * @END LICENSE
 */

#include "scf.h"

namespace psi {
namespace mcscf {

void SCF::density_matrix() {
    // Closed-shell density
    O->zero();
    for (int h = 0; h < nirreps; ++h) {
        for (int i = 0; i < docc[h]; ++i) {
            O->set(h, i, i, 1.0);
        }
    }
    transform(O, Dc, C_T);

    // ROHF density
    if (reference == rohf) {
        O->zero();
        for (int h = 0; h < nirreps; ++h) {
            for (int i = docc[h]; i < docc[h] + actv[h]; ++i) {
                O->set(h, i, i, 1.0);
            }
        }
        transform(O, Do, C_T);
    }

    // TWOCON density
    if (reference == tcscf) {
        for (int I = 0; I < nci; ++I) {
            O->zero();
            O->set(tcscf_sym[I], tcscf_mos[I], tcscf_mos[I], 1.0);
            transform(O, Dtc[I], C_T);
        }
    }
}

}  // namespace mcscf
}  // namespace psi
